CID 16684197

Einecs 248-559-1

Structural Information

Molecular Formula
C18H24HgO4
SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C12H20O4.C6H5.Hg/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-2-4-6-5-3-1;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);1-5H;/q;;+1/p-1/b8-7+;;
InChIKey
HSNHKPGAPVRKQV-MIIBGCIDSA-M
Compound name
[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-phenylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1381 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.14538 217.6
[M+Na]+ 529.12732 219.3
[M-H]- 505.13082 218.1
[M+NH4]+ 524.17192 229.4
[M+K]+ 545.10126 215.7
[M+H-H2O]+ 489.13536 207.9
[M+HCOO]- 551.13630 235.1
[M+CH3COO]- 565.15195 214.7
[M+Na-2H]- 527.11277 212.8
[M]+ 506.13755 222.7
[M]- 506.13865 222.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.